Compound Detail
CHEMBL1605743
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Basic Information
| ChEMBL ID | CHEMBL1605743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRUMWXSHFZXEDQ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
288.3
MW (Da)
4.27
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1293260 | IC50 | 6.72 | 6.72 | 190.1 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 6.43 | 6.43 | 374.2 | 1 |
| Beta-lactamase CHEMBL1293244 | IC50 | 6.4 | 6.4 | 398.8 | 1 |
| NS3 CHEMBL1293269 | IC50 | 5.13 | 5.13 | 7380.0 | 1 |
| Plectin CHEMBL1293240 | IC50 | 4.95 | 4.95 | 11120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 190.09 | nM | 6.72 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta Lactamase | IC50 | = | 374.22 | nM | 6.43 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta-lactamase | IC50 | = | 398.77 | nM | 6.4 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| NS3 | IC50 | = | 7380.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Plectin | IC50 | = | 11120.0 | nM | 4.95 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the bindi... | - |
Data from ChEMBL 36 via Core Engine